ChemSpider 2D Image | Ethyl 4-{[({2-[5-(1-pyrrolidinylsulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)amino]methyl}cyclohexanecarboxylate | C23H34N6O5S

Ethyl 4-{[({2-[5-(1-pyrrolidinylsulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)amino]methyl}cyclohexanecarboxylate

  • Molecular FormulaC23H34N6O5S
  • Average mass506.618 Da
  • Monoisotopic mass506.231140 Da
  • ChemSpider ID29065111

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-{[({2-[5-(1-Pyrrolidinylsulfonyl)-1H-benzotriazol-1-yl]éthyl}carbamoyl)amino]méthyl}cyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[[[2-[5-(1-pyrrolidinylsulfonyl)-1H-1,2,3-benzotriazol-1-yl]ethyl]amino]carbonyl]amino]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[({2-[5-(1-pyrrolidinylsulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)amino]methyl}cyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[({2-[5-(1-pyrrolidinylsulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)amino]methyl}cyclohexancarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.63
ACD/KOC (pH 5.5): 510.73
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.63
ACD/KOC (pH 7.4): 510.72
Polar Surface Area: 144 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 349.2±7.0 cm3

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